SCHEMBL21288117

SCHEMBL21288117

CC(C)CCN(C)C(=O)CCCC(=O)O

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDM4C Q9H3R0 7/20 0.51
▸ KDM4A O75164 6/20 0.51
▸ PHF8 Q9UPP1 2/20 0.51
▸ KDM2A Q9Y2K7 2/20 0.51
▸ EPHX2 P34913 2/20 0.46
▸ SLC22A6 Q4U2R8 1/20 0.41
▸ GABRP O00591 2/20 0.41
▸ GABRD O14764 2/20 0.41
▸ GABRA1 P14867 2/20 0.41
▸ GABRB1 P18505 2/20 0.41
▸ GABRG2 P18507 2/20 0.41
▸ GABRB3 P28472 2/20 0.41
▸ GABRA5 P31644 2/20 0.41
▸ GABRA3 P34903 2/20 0.41
▸ GABRA2 P47869 2/20 0.41
▸ GABRB2 P47870 2/20 0.41
▸ GABRA4 P48169 2/20 0.41
▸ GABRE P78334 2/20 0.41
▸ GABRA6 Q16445 2/20 0.41
▸ GABRG1 Q8N1C3 2/20 0.41

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL21288119 0.84 EPHX2 (0.47) KDM4CKDM4APHF8KDM2AEPHX2
SCHEMBL23188553 0.83 EPHX2 (0.46) KDM4CKDM4APHF8KDM2AEPHX2
SCHEMBL3998131 0.82 KDM4C (0.71) KDM4CKDM4APHF8KDM2AEPHX2
SCHEMBL24458184 0.82 CA1 (0.44) KDM4CKDM4APHF8KDM2AEPHX2
SCHEMBL26211951 0.81 KDM4C (0.50) KDM4CKDM4APHF8KDM2AEPHX2
SCHEMBL22564647 0.80 EPHX2 (0.53) KDM4CKDM4APHF8KDM2AEPHX2
SCHEMBL21288011 0.79 EPHX2 (0.50) KDM4CKDM4APHF8KDM2AEPHX2
SCHEMBL25762207 0.79 CA1 (0.37) KDM4CKDM4APHF8KDM2AEPHX2
SCHEMBL13133254 0.79 EPHX2 (0.58) KDM4CEPHX2SLC22A6KDM5AFFAR4
SCHEMBL4320985 0.79 ALDH1A1 (0.38) KDM4CKDM4APHF8KDM2AGABRP

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11787764-B2 Heptamethine cyanines for use as fluorescent markers of the biliary and renal systems CHILDREN'S NATIONAL MEDICAL CENTER (US) 2023-10-17 — — US disclosed
US-20210100919-A1 HEPTAMETHINE CYANINES FOR USE AS FLUORESCENT MARKERS OF THE BILIARY AND RENAL SYSTEMS CHILDREN'S NATIONAL MEDICAL CENTER (US) 2021-04-08 — — US disclosed
WO-2019161091-A9 HEPTAMETHINE CYANINES FOR USE AS FLUORESCENT MARKERS OF THE BILIARY AND RENAL SYSTEMS CHILDREN'S NATIONAL MEDICAL CENTER (US) 2019-10-24 — — WO disclosed
WO-2019161091-A1 HEPTAMETHINE CYANINES FOR USE AS FLUORESCENT MARKERS OF THE BILIARY AND RENAL SYSTEMS CHILDREN'S NATIONAL MEDICAL CENTER (US) 2019-08-22 — — WO disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (2 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-11787764-B2 Heptamethine cyanines for use as fluorescent markers of the biliary and renal systems CD68, PAX2, PYGL KDM4C 2782/4885KDM4A 2998/4885PHF8 3060/4885
US-20210100919-A1 HEPTAMETHINE CYANINES FOR USE AS FLUORESCENT MARKERS OF THE BILIARY AND RENAL SYSTEMS CD68, PAX2, PYGL KDM4C 2782/4885KDM4A 2998/4885PHF8 3060/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.

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